6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

C15H16ClN3OS — CID 82010658

IUPAC6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCNC(c1ccc2c(c1)CN(C)C(=O)N2)c1sccc1Cl
InChIInChI=1S/C15H16ClN3OS/c1-17-13(14-11(16)5-6-21-14)9-3-4-12-10(7-9)8-19(2)15(20)18-12/h3-7,13,17H,8H2,1-2H3,(H,18,20)
InChIKeyKZMZGIYUUAOUHM-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.69
Rot. Bonds3

About 6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82010658) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82010658
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCNC(c1ccc2c(c1)CN(C)C(=O)N2)c1sccc1Cl
InChIInChI=1S/C15H16ClN3OS/c1-17-13(14-11(16)5-6-21-14)9-3-4-12-10(7-9)8-19(2)15(20)18-12/h3-7,13,17H,8H2,1-2H3,(H,18,20)
InChIKeyKZMZGIYUUAOUHM-UHFFFAOYSA-N
XLogP3.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[furan-3-yl(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82008974
3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one
CID 82009574
3-methyl-6-[methylamino-(2-methylfuran-3-yl)methyl]-1,4-dihydroquinazolin-2-one
CID 82010160
6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009258
6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 106689209
6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009732
1-(4-bromo-3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 81291392
6-chloro-5-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-1,3-dihydroindol-2-one
CID 80645043
6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010181
6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 107961289
3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one
CID 155179364
6-[(5-bromofuran-2-yl)-chloromethyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010221

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 82010658) is 6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is CNC(c1ccc2c(c1)CN(C)C(=O)N2)c1sccc1Cl.
What is the InChIKey of 6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is KZMZGIYUUAOUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-17-13(14-11(16)5-6-21-14)9-3-4-12-10(7-9)8-19(2)15(20)18-12/h3-7,13,17H,8H2,1-2H3,(H,18,20).
What are the key properties of 6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 321.83 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorothiophen-2-yl)-(methylamino)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82010658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).